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URN : Summary
Code ![](/pdbe/static/images/help.png)
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URN
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C4 H6 N4 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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142.116 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1NC(N)=C(N)C(=O)N1 |
SMILES
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CACTVS |
3.341 |
NC1=C(N)C(=O)NC(=O)N1 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1(=C(NC(=O)NC1=O)N)N |
Canonical SMILES
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CACTVS |
3.341 |
NC1=C(N)C(=O)NC(=O)N1 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1(=C(NC(=O)NC1=O)N)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | BBTNLADSUVOPPN-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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16 (10 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2004-11-02
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Last modified at ![](/pdbe/static/images/help.png)
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2020-06-17
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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